Geometry & MOs

Info

ID:	416061
PubChem CID:	135089066
Reduced:	ClO2N3C16H20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	315.158292
ΔH_f, kcal/mol:	-63.79
Dipole, Da:	2.41
IP(EA), eV:	-9.12(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(2-aminoethyl)piperidin-1-yl]-5-phenyl-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCO)C(=O)CCC2=CC=CC=C2Cl

DOS

IR

Vibrations